tetradecyl 3-chloranyl-4-[5-[(2,4-dichlorophenyl)amino]-3-oxidanylidene-1H-pyrazol-2-yl]-5-methoxy-benzoate

Systemtic Name: tetradecyl 3-chloranyl-4-[5-[(2,4-dichlorophenyl)amino]-3-oxidanylidene-1H-pyrazol-2-yl]-5-methoxy-benzoate Openeye Name: tetradecyl 3-chloro-4-[5-(2,4-dichloroanilino)-3-oxo-1H-pyrazol-2-yl]-5-methoxy-benzoate CAS Name: 3-chloro-4-[5-(2,4-dichloroanilino)-3-oxo-1H-pyrazol-2-yl]-5-methoxybenzoic acid tetradecyl ester IUPAC Name: tetradecyl 3-chloro-4-[5-(2,4-dichloroanilino)-3-oxo-1H-pyrazol-2-yl]-5-methoxybenzoate Traditional Name: 3-chloro-4-[3-(2,4-dichloroanilino)-5-keto-3-pyrazolin-1-yl]-5-methoxy-benzoic acid myristyl ester Formula: C31H40Cl3N3O4 MolecularWeight: 625.026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)Cl)N2C(=O)C=C(N2)NC3=C(C=C(C=C3)Cl)Cl)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)Cl)N2C(=O)C=C(N2)NC3=C(C=C(C=C3)Cl)Cl)OC

InChI

InChI=1S/C31H40Cl3N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-41-31(39)22-18-25(34)30(27(19-22)40-2)37-29(38)21-28(36-37)35-26-16-15-23(32)20-24(26)33/h15-16,18-21,35-36H,3-14,17H2,1-2H3